[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C17H12N6O3 MolecularWeight: 348.31558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)COC(=O)C2=C(N=CC=C2)N3C=NC=N3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)COC(=O)C2=C(N=CC=C2)N3C=NC=N3)C#N

InChI

InChI=1S/C17H12N6O3/c18-8-12-3-1-4-13(7-12)22-15(24)9-26-17(25)14-5-2-6-20-16(14)23-11-19-10-21-23/h1-7,10-11H,9H2,(H,22,24)